3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine

C15H26N2O4S — CID 161004191

IUPAC3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)O)c1.CCNCC
InChIInChI=1S/C11H15NO4S.C4H11N/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14;1-3-5-4-2/h5-8H,3-4H2,1-2H3,(H,13,14);5H,3-4H2,1-2H3
InChIKeyTWHCGFFIQPYBDX-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.03
Rot. Bonds7

About 3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine

3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine (PubChem CID 161004191) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine.

Molecular Properties

Compound Name3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine
PubChem CID161004191
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)O)c1.CCNCC
InChIInChI=1S/C11H15NO4S.C4H11N/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14;1-3-5-4-2/h5-8H,3-4H2,1-2H3,(H,13,14);5H,3-4H2,1-2H3
InChIKeyTWHCGFFIQPYBDX-UHFFFAOYSA-N
XLogP2.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103101549
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
3-[2-cyanoethyl(ethyl)sulfamoyl]benzoic acid
CID 54876671
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
3-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 60951771
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
3-[[3-(diethylsulfamoyl)-4-methylphenyl]sulfamoyl]benzoic acid
CID 3917866
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine?
The IUPAC name of 3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine (CID 161004191) is 3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine.
What is the SMILES notation for 3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine?
The canonical SMILES for 3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine is CCN(CC)S(=O)(=O)c1cccc(C(=O)O)c1.CCNCC.
What is the InChIKey of 3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine?
The InChIKey is TWHCGFFIQPYBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S.C4H11N/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14;1-3-5-4-2/h5-8H,3-4H2,1-2H3,(H,13,14);5H,3-4H2,1-2H3.
What are the key properties of 3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine?
3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine has a molecular weight of 330.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine is sourced from PubChem (CID 161004191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).